SCHEMBL976158

SCHEMBL976158

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)NCc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1G O43497 3/20 0.39
CACNA1H O95180 3/20 0.39
CACNA1I Q9P0X4 3/20 0.39
HRH3 Q9Y5N1 2/20 0.37
PARP1 P09874 1/20 0.36
ASAH1 Q13510 1/20 0.36
DRD2 P14416 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HDAC1 Q13547 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL978816 0.85 PTGDR2 (0.35) PTGDR2
SCHEMBL976324 0.85 HHAT (0.37) LMNAPTGDR2KDM4EALDH1A1MAPT
SCHEMBL977977 0.83 LHCGR (0.38)
SCHEMBL979157 0.81 TRPM8 (0.46)
SCHEMBL977839 0.81 NPC1 (0.39) TP53ALDH1A1MAPT
SCHEMBL976752 0.79 TRPM8 (0.47)
SCHEMBL977879 0.79 LHCGR (0.44) TP53ALDH1A1MAPTKMT2A
SCHEMBL980003 0.79 MAPT (0.38) LMNATP53ALDH1A1MAPTKMT2A
SCHEMBL978585 0.77 RAB9A (0.45) LMNATP53KDM4EALDH1A1MAPT
SCHEMBL978518 0.77 LHCGR (0.42) TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 LMNA 3764/4885TP53 2132/4885PTGDR2 4265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.